1-phenyl-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-phenyl-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-phenyl-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-phenyl-4-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-phenyl-4-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-phenyl-4-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]butane-1,4-dione Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c28-19(18-6-2-1-3-7-18)8-9-22(29)27-14-12-26(13-15-27)21-16-20(23-17-24-21)25-10-4-5-11-25/h1-3,6-7,16-17H,4-5,8-15H2